methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate

C17H23NO6 — CID 94016796

IUPACmethyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H23NO6/c1-21-13-7-6-11(9-15(13)22-2)12(10-16(19)23-3)18-17(20)14-5-4-8-24-14/h6-7,9,12,14H,4-5,8,10H2,1-3H3,(H,18,20)/t12-,14-/m0/s1
InChIKeyGCWDTXJKXUOYOC-JSGCOSHPSA-N
MW337.37 g/mol
LogP1.60
Rot. Bonds7

About methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate

methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate (PubChem CID 94016796) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate
PubChem CID94016796
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Namemethyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H23NO6/c1-21-13-7-6-11(9-15(13)22-2)12(10-16(19)23-3)18-17(20)14-5-4-8-24-14/h6-7,9,12,14H,4-5,8,10H2,1-3H3,(H,18,20)/t12-,14-/m0/s1
InChIKeyGCWDTXJKXUOYOC-JSGCOSHPSA-N
XLogP1.60
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-3-(4-methylsulfanylphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate
CID 95304839
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 110314869
3-(3,4-dimethoxyphenyl)-3-[(5-methyloxolane-2-carbonyl)amino]propanoic acid
CID 120512446
methyl 3-[(2-cyclohexyloxyacetyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55776096
3-(cyclohexanecarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 3621497
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
CID 43048320
methyl 3-[[2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440520
ethyl 2-(3-bromo-4-methoxyphenyl)-2-[[(2S)-oxolane-2-carbonyl]amino]acetate
CID 126803185
methyl 3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440930
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119695137
methyl 3-(3,4-dimethoxyphenyl)-3-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]propanoate
CID 46697929
(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412352

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate (CID 94016796) is methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate is COC(=O)C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate?
The InChIKey is GCWDTXJKXUOYOC-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H23NO6/c1-21-13-7-6-11(9-15(13)22-2)12(10-16(19)23-3)18-17(20)14-5-4-8-24-14/h6-7,9,12,14H,4-5,8,10H2,1-3H3,(H,18,20)/t12-,14-/m0/s1.
What are the key properties of methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate?
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate has a molecular weight of 337.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate is sourced from PubChem (CID 94016796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).